[4-[(2-chlorophenyl)methyl]-1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]methanol

C22H28ClNO2 — CID 25488297

IUPAC[4-[(2-chlorophenyl)methyl]-1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]methanol
SMILESCCOc1ccc(CN2CCC(CO)(Cc3ccccc3Cl)CC2)cc1
InChIInChI=1S/C22H28ClNO2/c1-2-26-20-9-7-18(8-10-20)16-24-13-11-22(17-25,12-14-24)15-19-5-3-4-6-21(19)23/h3-10,25H,2,11-17H2,1H3
InChIKeyQAMVGRAHPMRQNW-UHFFFAOYSA-N
MW373.92 g/mol
LogP4.56
Rot. Bonds7

About [4-[(2-chlorophenyl)methyl]-1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]methanol

[4-[(2-chlorophenyl)methyl]-1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]methanol (PubChem CID 25488297) has the molecular formula C22H28ClNO2 and a molecular weight of 373.92 g/mol. Its IUPAC name is [4-[(2-chlorophenyl)methyl]-1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-[(2-chlorophenyl)methyl]-1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]methanol
PubChem CID25488297
Molecular FormulaC22H28ClNO2
Molecular Weight373.92 g/mol
Exact Mass373.18
IUPAC Name[4-[(2-chlorophenyl)methyl]-1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]methanol
SMILESCCOc1ccc(CN2CCC(CO)(Cc3ccccc3Cl)CC2)cc1
InChIInChI=1S/C22H28ClNO2/c1-2-26-20-9-7-18(8-10-20)16-24-13-11-22(17-25,12-14-24)15-19-5-3-4-6-21(19)23/h3-10,25H,2,11-17H2,1H3
InChIKeyQAMVGRAHPMRQNW-UHFFFAOYSA-N
XLogP4.56
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.92
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[(2-chlorophenyl)methyl]-1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]methanol?
The IUPAC name of [4-[(2-chlorophenyl)methyl]-1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]methanol (CID 25488297) is [4-[(2-chlorophenyl)methyl]-1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]methanol.
What is the SMILES notation for [4-[(2-chlorophenyl)methyl]-1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]methanol?
The canonical SMILES for [4-[(2-chlorophenyl)methyl]-1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]methanol is CCOc1ccc(CN2CCC(CO)(Cc3ccccc3Cl)CC2)cc1.
What is the InChIKey of [4-[(2-chlorophenyl)methyl]-1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]methanol?
The InChIKey is QAMVGRAHPMRQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClNO2/c1-2-26-20-9-7-18(8-10-20)16-24-13-11-22(17-25,12-14-24)15-19-5-3-4-6-21(19)23/h3-10,25H,2,11-17H2,1H3.
What are the key properties of [4-[(2-chlorophenyl)methyl]-1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]methanol?
[4-[(2-chlorophenyl)methyl]-1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]methanol has a molecular weight of 373.92 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-chlorophenyl)methyl]-1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 25488297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).